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Analysis: GC POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AlanineAlanineME7987445950C000411113116
ProlineProlineME798747145742C001481577142
ValineValineME7987456287C001831217144
Pyroglutamic acidPyroglutamic acidME7987397405C018791516156
IsoleucineIsoleucineME7987466306C004071292158
Benzoic acidBenzoic acidME798743243C001801253179
UreaUreaME7987481176C000861249189
Oxalic acidOxalic acidME798734971C002091145190
GlycerolGlycerolME798749753C001161276205
Aconitic acidcis-Aconitic acidME798741643757C004171747229
Malic acidMalic acidME798738222656C001491487233
Malonic acidMalonic acidME798735867C040251211233
Fumaric acidFumaric acidME798737444972C001221352245
Succinic acidSuccinic acidME7987361110C000421316247
Citric acidCitric acidME798740311C001581814273
Erythronic acidErythronic acidME7987422781043C215931540292
Myo-inositolMyo-inositolME798753892C001372065305
ArabinoseArabinoseME798750439195C002591758307
GalactoseGalactoseME798751439357C009841979319
GlucoseGlucoseME7987525793C000311991319
SucroseSucroseME7987545988C000892457361


Analysis: GC POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
RI1211_102_UnknownUnknownME798792--1211.2102
3-Deoxytetronic acid (2,4-Dihydroxybutanoic acid)_...-ME798843192742-1411.6103
RI1314_105_UnknownUnknownME798818--1314.3105
RI2001_105_UnknownUnknownME799016--2000.8105
RI1573_110_UnknownUnknownME798885--1572.5110
Adipic acid_2TMSAdipic acidME798866196C061041504.9111
Alanine_2TMSAlanineME7987735950C000411112.9116
N-acetyl-serine_2TMSN-AcetylserineME79886465249-1503.1116
RI1140_116_Unknown_(Alanine-derived)UnknownME798779--1139.4116
RI1242_116_UnknownUnknownME798798--1242.1116
RI1388_116_UnknownUnknownME798838--1387.7116
1,2-Propylene glycol_2TMS-ME7987631030C00583 1033.9117
Decanoic acid_1TMSCapric acidME7988522969C015711457.5117
Lactic acid_2TMSLactic acidME798769107689C001861076117
Octanoic acid_1TMSCaprylic acidME798806379C064231269.1117
Palmitelaidic acid_1TMSPalmitelaidic acidME7990195282745-2015.8117
RI1018_117_UnknownUnknownME798758--1017.6117
RI1370_117_UnknownUnknownME798834--1370117
RI1572_117_UnknownUnknownME798884--1572.3117
Ribonic acid-14-lactone_3TMS-ME798904111064C026741645.9117
Xylonic acid-1,4-lactone_3TMS-ME798900439799C027531629.5117
RI1178_119_UnknownUnknownME798787--1177.7119
RI1196_119_UnknownUnknownME798790--1195.8119
Oleanitrile-ME799033--2074.5122
RI1015_126_UnknownUnknownME798757--1014.9126
1-Monooleoylglycerol_2TMS-ME7991315283468-2632.9129
2-Oleoylglycerol_2TMSMG 0:0/18:1(9Z)/0:0ME7991305319879-2629.7129
Diethylhexyl adipate (DEHA)-ME7990897641C142402348.4129
RI2220_131_UnknownUnknownME799068--2219.8131
1-Nitroso-3,5-dinitro-hexahydro-1,3,5-triazine-ME798832535289-1365.9132
2-(2-Hydroxyethylthio)propionic acid_2TMS-ME798775548277-1126.7132
Glycine_1TMSGlycineME798760750C000371027.7132
Hydroxycarbamic_acid_2TMSHydroxycarbamic acidME79878316639161-1152.2132
Hydroxycarbamic_acid_3TMSHydroxycarbamic acidME79881116639161-1289.9132
RI1029_132_UnknownUnknownME798761--1029.1132
RI1448_132_UnknownUnknownME798849--1447.5132
RI1523_132_UnknownUnknownME798869--1523.6132
RI1538_132_UnknownUnknownME798875--1538.7132
RI1567_132_Cinnamaldehyde-ME798883--1567.4132
RI1636_132_UnknownUnknownME798901--1636.4132
RI1688_132_UnknownUnknownME798913--1688.4132
RI1707_132_UnknownUnknownME798917--1707.7132
RI1838_132_UnknownUnknownME798959--1837.6132
RI1918_132_UnknownUnknownME798986--1917.9132
RI2024_132_UnknownUnknownME799022--2024.8132
RI2057_132_UnknownUnknownME799030--2056.9132
RI2093_132_UnknownUnknownME799038--2093.5132
RI2110_132_UnknownUnknownME799066--2210.1132
RI1250_133_UnknownUnknownME798800--1250.1133
RI1367_133_UnknownUnknownME798833--1367.3133
RI3433_136_UnknownUnknownME799103--3433.1136
RI1131_140_UnknownUnknownME798776--1131.2140
RI1134_140_UnknownUnknownME798777--1133.7140
RI1282_140_UnknownUnknownME798810--1281.7140
RI1306_140_UnknownUnknownME798816--1305.7140
RI1382_140_UnknownUnknownME798837--1382.3140
RI1473_140_UnknownUnknownME798857--1473140
RI1555_140_UnknownUnknownME798880--1555.3140
RI1666_140_UnknownUnknownME798910--1666.3140
RI1743_140_UnknownUnknownME798927--1743.4140
RI1941 UnknownUnknownME798993--1940.7140
RI2157_140_UnknownUnknownME799050--2157.7140
RI2161_140_UnknownUnknownME799052--2161.4140
RI2170_140_UnknownUnknownME799055--2170.4140
RI2203_140_UnknownUnknownME799064--2203140
RI2235_140_UnknownUnknownME799073--2235.4140
RI2317_140_UnknownUnknownME799083--2317.3140
RI1678_141_UnknownUnknownME798912--1678.6141
Proline_2TMSProlineME798814145742C001481299142
Proline [+CO2]_2TMS-ME798887145742C001481577.6142
Phytol_1TMSPhytolME7990515280435C013892159.7143
RI1871_143_UnknownUnknownME798972--1871.1143
RI1613_144_UnknownUnknownME798895--1612.7144
Valine_2TMSValineME7987956287C001831217.2144
RI1205_146_UnknownUnknownME798791--1205.2146
2-Hydroxypyridine_1TMS2-HydroxypyridineME7987688871C025021061.7152
RI1167_152_UnknownUnknownME798786--1167.1152
Pimelic acid_2TMSPimelic acidME798893385C026561601.9155
Pyroglutamic acid_2TMSPyroglutamic acidME7988677405C018791516156
RI1136_156_UnknownUnknownME798778--1136156
RI1703_157_UnknownUnknownME798916--1703.4157
RI2368_157_UnknownUnknownME799093--2368.1157
Isoleucine_2TMSIsoleucineME7988126306C004071294158
Leucine_2TMSLeucineME7988076106C001231272158
RI1035_158_UnknownUnknownME798764--1034.8158
RI1363_158_UnknownUnknownME798831--1362.5158
RI2228_158_UnknownUnknownME799071--2227.9158
RI2273_159_UnknownUnknownME799080--2276159
Glutaric acid_2TMSGlutaric acidME798842743C004891405.8160
RI1415_160_UnknownUnknownME798844--1415.8160
RI1499_160_UnknownUnknownME798861--1498.6160
RI1583_167_UnknownUnknownME798888--1582.7167
N-Acetyl-α-D-glucosamine_4TMSN-AcetylglucosamineME799036--2082.8173
RI2532_173_UnknownUnknownME799116--2531.8173
Ethanolamine_3TMSEthanolamineME798797700C001891232.1174
Glycine_3TMSGlycineME798815750C000371304.3174
Lysine_4TMSLysineME7990025962C000471964.6174
RI1265_174_Amine-ME798805--1265.3174
RI1526_174_UnknownUnknownME798870--1525.9174
RI1865_174_UnknownUnknownME798970--1865.4174
RI1959_174_UnknownUnknownME799001--1959174
RI1989_174_Amine-ME799011--1988.5174
RI2031_174_Amine-ME799024--2031.1174
RI2037_174_Amine-ME799027--2037174
RI2114_174_Amine-ME799043--2113.6174
RI2197_174_Amine-ME799061--2196.8174
RI2239_174_Amine-ME799074--2239.1174
RI2247_174_Amine-ME799076--2247.1174
RI2377_174_Amine-ME799096--2377.5174
RI1255_176_UnknownUnknownME798802--1254.7176
RI1257_176_UnknownUnknownME798803--1257.4176
Glycolic acid_2TMSGlycolic acidME798772757C001601098.9177
Benzoic acid_1TMSBenzoic acidME798801243C001801253.3179
Nicotinic acid_1TMSNicotinic acidME798813938C002531296.9180
Itaconic acid_2TMSItaconic acidME798825811C004901342.9183
RI1033_184_UnknownUnknownME798762--1033.7184
RI1212_184_UnknownUnknownME798794--1212184
RI1331_184_unknownUnknownME798823--1331.9184
RI1401_184_Carboxylic acid-ME798841--1400.9184
RI1461_185_UnknownUnknownME798853--1460.6185
Carbodiimide_2TMS-ME798756160435C015661012186
RI1733_186_UnknownUnknownME798925--1733186
RI1880_186_UnknownUnknownME798975--1880186
1-Octanol_1TMSn-OctanolME798774957C007561113.7187
Alanine_3TMSAlanineME7988285950C000411357188
RI1543_188_UnknownUnknownME798877--1542.9188
RI1554_188_UnknownUnknownME798879--1554188
RI1846_188_UnknownUnknownME798962--1845.7188
Urea_2TMSUreaME7987991176C000861248.9189
Oxalic acid_2TMSOxalic acidME798782971C002091145.5190
RI1090_190_UnknownUnknownME798771--1090190
RI1223_191_UnknownUnknownME798796--1223.2191
RI1530_199_UnknownUnknownME798872--1529.5199
RI2847_200_UnknownUnknownME799158--2846.7200
RI1626_202_UnknownUnknownME798898--1625.5202
RI1650_202_Indol-derivate-ME798906--1649.9202
RI1657_202_Indol-derivate-ME798909--1656.9202
RI1822_203_UnknownUnknownME798954--1822.3203
2-O-Glycerol-α-d-galactopyranoside_6TMS-ME799081656504C054012283204
RI1860_204_UnknownUnknownME798968--1860.2204
RI1886_204_UnknownUnknownME798977--1886.4204
RI1891_204_Carbohydrate-ME798979--1891204
RI1896_204_C5-C6-Carbohydrate-ME798981--1896.2204
RI1930_204_C5-C6-Carbohydrate-ME798990--1930.1204
RI1947_204_C5-C6-Carbohydrate-ME798996--1947.4204
RI1975_204_Carbohydrate-ME799006--1975.3204
RI2019_204_Carbohydrate-ME799020--2019.2204
RI2024_204_Carbohydrate-ME799021--2024.8204
RI2066_204_Carbohydrate-ME799031--2066.1204
RI2087_204_UnknownUnknownME799037--2087.1204
RI2116_204_Carbohydrate-ME799044--2115.7204
RI2129_204_Carbohydrate-ME799046--2129.5204
RI2172_204_Carbohydrate-ME799056--2172.1204
RI2214_204_Carbohydrate-ME799067--2214204
RI2227_204_Carbohydrate-ME799070--2226.9204
RI2245_204_Oligosaccharide derived acid-ME799075--2245.2204
RI2270_204_Carbohydrate-ME799078--2269.6204
RI2273_204_UnknownUnknownME799079--2273.5204
RI2311_204_Disaccharide-ME799082--2311.5204
RI2320_204_Disaccharide-ME799084--2320.2204
RI2374_204_Disaccharide-ME799095--2373.6204
RI2391_204_Disaccharide-ME799099--2391.1204
RI2440_204_Disaccharide-ME799104--2440.3204
RI2568_204_Disaccharide-ME799122--2568.4204
RI2592_204_Disaccharide-ME799124--2592.5204
RI2600_204_Disaccharide-ME799125--2599.8204
RI2628_204_Disaccharide-ME799129--2628.2204
RI2635_204_UnknownUnknownME799132--2635.1204
RI2656_204_Disaccharide-ME799136--2655.8204
RI2663_204_Disaccharide-ME799138--2663.2204
RI2668_204_Disaccharide-ME799139--2668.4204
RI2680_204_Di-or-oligosaccharide-ME799141--2680.1204
RI2694_204_Di-or-oligosaccharide-ME799143--2694.7204
RI2733_204_Di-or-oligosaccharide-ME799145--2732.6204
RI2750_204_Di-or-oligosaccharide-ME799147--2749.7204
RI2763_204_Di-or-oligosaccharide-ME799148--2763.2204
RI2777_204_Di-or-oligosaccharide-ME799149--2777.2204
RI2783_204_Di-or-oligosaccharide-ME799150--2782.5204
RI2798_204_Di-or-oligosaccharide-ME799151--2797.8204
RI2813_204_Di-or-oligosaccharide-ME799152--2813.4204
RI2824_204_Di-or-oligosaccharide-ME799153--2823.8204
RI2837_204_Oligosaccharide-ME799157--2836.9204
RI2864_204_Di-or-oligosaccharide-ME799159--2863.8204
RI2872_204_Oligosaccharide-ME799160--2872.3204
RI2887_204_Oligosaccharide-ME799161--2887.6204
Shikimic acid_4TMSShikimic acidME7989508742C004931808.5204
Glycerol_3TMSGlycerolME798809753C001161276.4205
Hydroxycarbamic_acid_1TMSHydroxycarbamic acidME79876716639161-1048.1206
RI1725_208_UnknownUnknownME798921--1725.4208
RI2105_210_UnknownUnknownME799041--2105.4210
RI1813_214_UnknownUnknownME798951--1813214
RI1731_215_UnknownUnknownME798924--1731.4215
RI1744_215_UnknownUnknownME798928--1744.1215
Arabinonic acid-1,4-lactone_3TMS-ME79889617723-1622.2217
Fructofuranose_1_5TMS-ME798946439709C023361798.7217
Fructofuranose_2_5TMS-ME798948439709C023361807217
Fructose_1_1MEOX5TMS-ME798992439709C023361934.8217
Fructose_21MEOX5TMSFructoseME798994439709C023361942.9217
Glucaric acid-1,4-lactone_4TMS-ME798983122306-1901.5217
RI1528_217_UnknownUnknownME798871--1528.7217
RI1656_217_Carbohydrate-ME798908--1656217
RI1673_217_Carbohydrate-ME798911--1673.1217
RI1696_217_Carbohydrate-ME798915--1696.2217
RI1716_217_С5-Sugar alcochol-ME798918--1716.1217
RI1730_Lyxonic acid-1,4-lactone or Arabinonic acid...-ME798923--1729.7217
RI1735_217_Carbohydrate-ME798926--1735.5217
RI1764_217_C5-Carbohydrate-ME798935--1764.5217
RI1782_217_C5-Carbohydrate-ME798941--1782.4217
RI1881_217_UnknownUnknownME798976--1881.4217
RI1889_217_Sugar-derived acid-ME798978--1888.9217
RI1907_217_Sugar-derived acid-ME798984--1907.1217
RI1970_217_Sugar-derived acid-ME799003--1969.7217
RI1974_217_Sugar-derived acid-ME799004--1970.6217
RI2336_217_Sugar-derived acid-ME799087--2335.5217
RI2453_217_Disaccharide-ME799106--2453.3217
RI2561_217_Disaccharide-ME799120--2561.3217
Ribitol_5TMSRibitolME7989196912C004741720.7217
Uridine_3TMSUridineME7990986029C002992389.4217
Glyoxylic acid_1MEOX_1TMSGlyoxylic acidME798781760C000481142.6218
cys-Caffeic acid-ME7990051549111C014811972.3219
RI1156_219_UnknownUnknownME798784--1156.6219
RI1549_219_UnknownUnknownME798878--1549.1219
RI1999_219_Phenolic compound-ME799015--1999.1219
RI2229_219_UnknownUnknownME799072--2228.9219
RI2472_219_Disaccharide-ME799107--2471.6219
RI2745_219_UnknownUnknownME799146--2745.5219
trans-Caffeic acid_1_3TMS-ME799045689043C011972124.9219
trans-Caffeic acid _2_3TMS-ME799048689043C011972137.6219
RI1141_220_UnknownUnknownME798780--1140220
RI1324_220_UnknownUnknownME798821--1323.7220
Benzenedicarboxylic acid derivative-ME799040--2098.3221
Boric acid_3TMS-ME7987597628C124861020.8221
RI1643_226_UnknownUnknownME798902--1643.3226
RI1260_228_UnknownUnknownME798804--1259.8228
Aconitic acid_3TMScis-Aconitic acidME798931643757C004171747.5229
RI1377_229_UnknownUnknownME798836--1377.3229
Adenosine_4TMSAdenosineME79911760961C002122540.1230
RI1947_230_UnknownUnknownME798997--1947.1230
2-Deoxytetronic acid (3,4-Dihydroxybutanoic acid)_...-ME798845150929-1432.1233
Malic acid_3TMSMalic acidME798859222656C001491486.9233
Malonic acid_2TMSMalonic acidME798793867C040251211.3233
RI1745_233_UnknownUnknownME798929--1744.9233
RI1855_233_UnknownUnknownME798965--1854.9233
RI1862_233_UnknownUnknownME798969--1862233
RI1893_233_UnknownUnknownME798980--1893.2233
RI1898_233_UnknownUnknownME798982--1897.8233
Arabino-Hexos-2-ulose_4TMS-ME798858159630-1477.2234
RI2528_236_UnknownUnknownME799115--2528.1236
Dehydroabietic acid_1TMSDehydroabietic acidME79908894391C120782343.7239
RI1400_239_UnknownUnknownME798840--1399.8239
RI1082_240_UnknownUnknownME798770--1082.2240
Phosphoric acid monomethyl ester-ME79878813130-1185.5241
RI1519_241_UnknownUnknownME798868--1519.3241
RI1559_241_UnknownUnknownME798882--1559.6241
Uracil_2TMSUracilME7988241174C00106 1337.1241
RI1436_243_UnknownUnknownME798847--1435.7243
Fumaric acid_2TMSFumaric acidME798827444972C001221352.4245
RI1646_245_UnknownUnknownME798905--1646245
RI1859_245_UnknownUnknownME798967--1858.8245
RI1629_246_UnknownUnknownME798899--1629.1246
3,4-Dihydroxybutyric acid γ-lactone-ME79883595652-1371.4247
3-Hydroxy-3-methylglutaric acid_3TMS3-Hydroxymethylglutaric acidME7988921662C037611598.9247
Citramalic acid_3TMSCitramalic acidME798855441696C008151468.2247
Succinic acid_2TMSSuccinic acidME7988191110C000421316.6247
α-Hydroxyglutaric acid_3TMSHydroxyglutaric acidME798886439939C031961573.8247
RI1602_248_UnknownUnknownME798894--1601.9248
RI2170_249_UnknownUnknownME799054--2169.5249
RI1778_253_UnknownUnknownME798939--1776.7253
5-Methylcytosine_2TMS5-MethylcytosineME79887365040C023761534254
Ergosta-7-en-3-beta-ol_1TMS-ME79916891691464-3014.6255
RI1461_255_UnknownUnknownME798854--1461.3255
Thymine_2TMSThymineME7988391135C001781397.2255
Dodecanoic acid_1TMSLauric acidME7989073893C026791651257
RI1434_257_UnknownUnknownME798846--1434257
RI1011_258_UnknownUnknownME798755--1011.2258
Methylmaleic acid_2TMSCitraconic acidME798826--1348.9259
RI1839_261_UnknownUnknownME798960--1839261
RI1844_261_UnknownUnknownME798961--1844.3261
RI1592_262_UnknownUnknownME798889--1591.9262
Adenine_2TMSAdenineME798966190C001471858.2264
RI2096_264_Adenine_derivate-ME799039--2096.2264
p-Hydroxybenzoic acid_2TMS4-Hydroxybenzoic acidME798897--1623.8267
RI2053_267_UnknownUnknownME799029--2052.9267
Salicylic acid_2TMSSalicylic acidME798865338C008051504.2267
Citric acid_4TMSCitric acidME798952311C001581814.1273
Isocitric_acid_1_4TMS-ME7989531198C003111818.1273
Isocitric_acid_2_4TMS-ME7989551198C003111827.9273
RI1915_275_C6-Carbohydrate-ME798985--1915.4275
RI2189_276_UnknownUnknownME799058--2189.3276
RI1361_278_UnknownUnknownME798830--1360.7278
RI1312_280_UnknownUnknownME798817--1312.1280
RI1502_280_UnknownUnknownME798863--1501.8280
p-Aminobenzoic acid_2TMSp-Aminobenzoic acidME798829978C005681358.7281
RI1319_283_UnknownUnknownME798820--1319.6283
Myristic acid_1TMSMyristic acidME79896311005C064241846.1285
RI1781_290_UnknownUnknownME798940--1780.9290
Arabinonic acid_5TMSArabinonic acidME798937122045C008781768.4292
Erythronic acid_4TMSErythronic acidME7988762781043C215931540.9292
Glyceric acid_3TMSGlyceric acidME798822752C002581330.4292
RI1776_292_C5-Sugar-derived acid-ME798938--1776292
RI1797_292_Sugar-derived acid-ME798945--1797.4292
RI1870_292_Sugar-derived acid-ME798971--1870.7292
RI1988_292_Sugar-derived acid-ME799010--1988.4292
Threonic acid_4TMSThreonic acidME7988815460407C016201558.5292
p-Coumaric acid_2TMScis-p-Coumaric acidME7989421549106C067381784.4293
RI1995_293_UnknownUnknownME799014--1997.5293
trans-2-hydroxy-Cinnamic acid_2TMStrans-o-Coumaric acidME798991637540C017721933.7293
RI2027_294_UnknownUnknownME799023--2026.5294
RI1451_295_UnknownUnknownME798850--1451.2295
RI2387_295_UnknownUnknownME799097--2386.5295
Glycerol-2-phosphate_4TMSsn-Glycero-2-phosphateME7989202526C029791721.2299
Glycerol-3-phosphate_4TMSsn-Glycero-3-phosphateME798933439162C000931758.8299
n-Valeric acid (n-Pentanoic acid)_1TMS-ME7989957991C008031944.4299
Phosphate_3TMSPhosphoric acidME7988081061C000091273.7299
RI2191_299_Phosphate-ME799059--2191.1299
RI2829_299_Phosphoconjugated_compound-ME799155--2829.4299
RI1921_300_UnknownUnknownME798987--1921300
Myo-inositol_6TMSMyo-inositolME799034892C001372076.9305
Arabinose_1_1MEOX4TMS-ME798932439195C002591755307
Arabinose_2_1MEOX4TMS-ME798934439195C002591758.9307
Xylitol_5TMSXylitolME7989146912C003791692.5307
RI1785_312_UnknownUnknownME798943--1784.9312
Palmitic acid_1TMSPalmitic acidME799028985C00249 2041.4313
RI1802_314_UnknownUnknownME798947--1801.9314
2-Hydroxysebacic acid_2TMS-ME799113128458-2525.2317
Azelaic acid_2TMSAzelaic acidME798944--1793.7317
Myo-Inositol phosphate_1_7TMS-ME799091107737C040062361.7318
Myo-Inositol phosphate_2_7TMS-ME799101107737C040062404.8318
Galactose_1MEOX, 5TMSGalactoseME799007439357C009841979.6319
Gluconic acid δ-lactone_4TMSGluconolactoneME7989747027C001981878.5319
Glucose_1_1MEOX, 5TMSGlucoseME7990135793C000311990.5319
Glucose_2_1MEOX, 5TMSGlucoseME7990185793C000312007.2319
Mannose_1MEOX, 5TMSMannoseME79900918950C001591984.3319
RI1922_319_C5-C6-Carbohydrate-ME798988--1922.2319
RI1929_319_Sugar alcochol-ME798989--1928.8319
RI1952_319_Carbohydrate-ME798999--1952.4319
Guanosine_5TMSGuanosineME7991346802C003872642.8324
RI2256_326_UnknownUnknownME799077--2256.2326
Heptadecanoic acid_1TMSMargaric acidME79904710465-2134.3327
RI2108_327_UnknownUnknownME799042--2107.9327
RI1767_332_UnknownUnknownME798936--1767332
Gluconic acid_6TMSGluconic acidME79901210690C002571990.7333
RI1747_333_Sugar-derived acid-ME798930--1747.1333
RI1957_333_Sugar-derived acid-ME799000--1956.7333
RI1984_333_Sugar derived acid-ME799008--1983.9333
RI2006_333_Sugar-derived acid-ME799017--2005.7333
RI2034_333_Sugar-derived acid-ME799025--2033.8333
α-Linolenic acid_1TMSOctadecatrienoic acidME799062481107797C064272198.9335
Linoleic acid_1TMSLinoleic acidME7990605280450C015952192.7337
Ferulic acid_2TMStrans-Ferulic acidME799035445858C014942082.1338
Oleic acid amide_1TMSOleamideME7990925383387C196702366.7338
Oleic acid_1TMSOleic acidME799065445639C007122205.5339
trans-9-Octadecenoic acid_1TMSElaidic acidME799063637517C017122199.2339
Stearic acid_1TMSStearic acidME7990695281C015302223.3341
RI1596_342_UnknownUnknownME798890--1595.9342
Stigmasterol_1TMSStigmasterolME7991695280794C054423033.5343
Quinic acid_5TMSQuinic acidME7989646508C002961852.4345
RI1833_349_UnknownUnknownME798957--1833.3349
RI1597_353_UnknownUnknownME798891--1596.6353
RI1646_355_UnknownUnknownME798903--1645.9355
RI1872_355_UnknownUnknownME798973--1871.8355
RI2071_355_Phenolic compound-ME799032--2071.1355
Glycerophosphoglycerol_5TMSsn-Glycero-3-phosphoglycerolME799057439964C032742181.2357
RI1726_357_UnknownUnknownME798922--1726.4357
RI1469_359_UnknownUnknownME798856--1469.2359
RI1949_361_Carbohydrate-ME798998--1949.3361
RI2035_361_Carbohydrate-ME799026--2035.3361
RI2356_361_Disaccharide-ME799090--2356.1361
RI2443_361_Disaccharide-ME799105--2443.2361
RI2477_361_Disaccharide-ME799108--2476.8361
RI2481_361_Disaccharide-ME799109--2481.5361
RI2504_361_Disaccharide-ME799111--2504.5361
RI2529_361_Disaccharide-ME799114--2529361
RI2579_361_Disaccharide-ME799123--2579361
RI2615_361_Disaccharide-ME799126--2615361
RI2619_361_Disaccharide-ME799127--2619.4361
RI2657_361_Disaccharide-ME799137--2656.6361
RI2703_361_Disaccharide-ME799144--2702.7361
RI2898_361_Di-or-oligosaccharide-ME799164--2898.3361
RI2932_361_Di-or-oligosaccharide-ME799165--2931.8361
RI3089_361_Oligosaccharide-ME799170--3089.1361
Sucrose_8TMSSucroseME7991185988C000892540.8361
Trehalose_8TMSTrehaloseME7991407427C010832675.5361
1,8-dihydroxyanthraquinone_2TMS-ME7990942950C103122370.8369
Arachidic acid_1TMSArachidic acidME79910010467C064252392.2369
RI1835_369_UnknownUnknownME798958--1835369
RI2146_369_UnknownUnknownME799049--2145.6369
1-Monopalmitoylglycerol_1TMS-ME79911214900-2507371
RI2483_377_UnknownUnknownME799110--2483.2377
RI1830_382_UnknownUnknownME798956--1829.9382
RI2163_387_UnknownUnknownME799053--2163.2387
RI2636_393_Lysolipid-ME799133--2635.8393
Stigmastane-ME7991546857438C196662825394
Docosanoic acid_1TMSBehenic acidME7991198215C082812547397
1-Monostearateglycerol_2TMS-ME79913524699-2651.2399
RI2621_411_UnknownUnknownME799128--2621411
RI2332_415_UnknownUnknownME799086--2332.2415
Lignoceric acid (Tetracosanoic acid)_1TMS-ME79914211197C083202692.7425
RI2430_427_UnknownUnknownME799102--2430427
RI1808_437_C6-Carbohydrate-ME798949--1807.9437
RI1537_447_Uracil derivative-ME798874--1536.7447
Hexacosanoic acid_1TMSCerotic acidME79915610469C219312829.7453
RI2898_467_UnknownUnknownME799163--2898467
RI2962_481_UnknownUnknownME799167--2961.9481
β-Sitosterol_1TMSSitosterolME799171222284C017533087.5486
Delta(9)-tetrahydrocannabinolic acid_1TMS-ME79912198523-2564.8502
RI2891_502_UnknownUnknownME799162--2891502
N,N-Dimethylglycine_1TMSDimethylglycineME798765673C010261040.458
9-OctadecenamideElaidamideME7990851930C196702323.259
N-Formylpiperidine-ME79878517429-1161.784
Pyroglutamic acid_1TMSPyroglutamic acidME7988607405C018791496.484
RI1500_85_UnknownUnknownME798862--1500.685
Isoleucine_1TMSIsoleucineME7987896306C004071189.186
Methyl-lactate_1TMS-ME79876611040-104689
RI2939_91_UnknownUnknownME799166--2938.791
RI1440_98_UnknownUnknownME798848--1439.898
RI1453_98_UnknownUnknownME798851--1453.598


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